⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL157843 | 0.89 | — | — | |
| SCHEMBL10772784 | 0.78 | — | — | |
| SCHEMBL10772602 | 0.70 | — | — | |
| SCHEMBL42989 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL29006985 | 0.67 | — | — | |
| SCHEMBL283341 | 0.65 | — | — | |
| SCHEMBL8749575 | 0.63 | — | — | |
| SCHEMBL10771992 | 0.63 | — | — | |
| SCHEMBL284307 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL29007006 | 0.62 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110997682-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 爱杜西亚药品有限公司 | 2020-04-10 | — | — | CN | disclosed |